TCS 2510
SMILES | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 |
InChIKey | JWYPJSNXPZTEHL-VJKINUSGSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 383.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.92 | 8.92 | 8.92 | Guide to Pharmacology |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 8.85 | 8.85 | 8.85 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 8.6 | 8.6 | 8.6 | ChEMBL |